(3-bromanyl-4-phenylmethoxy-phenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium

Systemtic Name: (3-bromanyl-4-phenylmethoxy-phenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium Openeye Name: (4-benzyloxy-3-bromo-phenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium CAS Name: (3-bromo-4-phenylmethoxyphenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium IUPAC Name: (3-bromo-4-phenylmethoxyphenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium Traditional Name: (4-benzoxy-3-bromo-benzyl)-homoveratryl-ammonium Formula: C24H27BrNO3+ MolecularWeight: 457.38008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC(=C(C=C2)OCC3=CC=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC(=C(C=C2)OCC3=CC=CC=C3)Br)OC

InChI

InChI=1S/C24H26BrNO3/c1-27-23-11-8-18(15-24(23)28-2)12-13-26-16-20-9-10-22(21(25)14-20)29-17-19-6-4-3-5-7-19/h3-11,14-15,26H,12-13,16-17H2,1-2H3/p+1